[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate

C17H24N2O2 — CID 11943188

IUPAC[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate
SMILESCC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-2-13-11-19-9-8-14(13)10-16(19)12-21-17(20)18-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,18,20)/t13-,14-,16+/m0/s1
InChIKeyADXOZPYVFZJVMP-OFQRWUPVSA-N
MW288.39 g/mol
LogP3.36
Rot. Bonds4

About [(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate

[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate (PubChem CID 11943188) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate.

Molecular Properties

Compound Name[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate
PubChem CID11943188
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate
SMILESCC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-2-13-11-19-9-8-14(13)10-16(19)12-21-17(20)18-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,18,20)/t13-,14-,16+/m0/s1
InChIKeyADXOZPYVFZJVMP-OFQRWUPVSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate?
The IUPAC name of [(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate (CID 11943188) is [(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate.
What is the SMILES notation for [(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate?
The canonical SMILES for [(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate is CC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1.
What is the InChIKey of [(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate?
The InChIKey is ADXOZPYVFZJVMP-OFQRWUPVSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-13-11-19-9-8-14(13)10-16(19)12-21-17(20)18-15-6-4-3-5-7-15/h3-7,13-14,16H,2,8-12H2,1H3,(H,18,20)/t13-,14-,16+/m0/s1.
What are the key properties of [(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate?
[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate has a molecular weight of 288.39 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-phenylcarbamate is sourced from PubChem (CID 11943188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).